Task 38686555

Name test_793-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9103_0
Workunit 31627985
Created 28 Oct 2026, 3:10:32 UTC
Sent 28 Oct 2026, 3:10:34 UTC
Report deadline 2 Nov 2026, 3:10:34 UTC
Received 28 Oct 2026, 3:49:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 37 min 52 sec
CPU time 35 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.44 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
04:12:30 (11968): wrapper (7.9.26016): starting
04:12:30 (11968): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
04:12:32 (11968): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:12:32 (11968): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\18\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\18\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
04:48:49 (11968): C:/Windows/system32/cmd.exe exited; CPU time 2136.828125
04:48:49 (11968): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 37257047 bytes.
Dumping objects ->
{3835240} normal block at 0x0000016622E043B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000016622E04340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000016622E042D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000016622E04260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000016622E04110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000166249B5A20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000016622E50F40, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x0000016622DFDEF0, 8 bytes long.
 Data: <  &#215;"f   > 00 00 D7 22 66 01 00 00 
{3834552} normal block at 0x0000016622E50C00, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000016622DFDE00, 8 bytes long.
 Data: < &#214;&#222;"f   > 90 D6 DE 22 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000016622DFFE20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016622DF5830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000016622E04B30, 16 bytes long.
 Data: <H]&#224;"f           > 48 5D E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016622E04AE0, 16 bytes long.
 Data: < ]&#224;"f           > 20 5D E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016622DFFB10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000016622E057B0, 16 bytes long.
 Data: <&#248;\&#224;"f           > F8 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016622E05760, 16 bytes long.
 Data: <&#208;\&#224;"f           > D0 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016622E049F0, 16 bytes long.
 Data: <&#168;\&#224;"f           > A8 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016622E04FE0, 16 bytes long.
 Data: < \&#224;"f           > 80 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016622E04490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000016622E053A0, 16 bytes long.
 Data: <H&#180;&#222;"f           > 48 B4 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016622DFF990, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000016622E05350, 16 bytes long.
 Data: < &#180;&#222;"f           > 20 B4 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016622E055D0, 16 bytes long.
 Data: <&#248;&#179;&#222;"f           > F8 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016622E05710, 16 bytes long.
 Data: <&#208;&#179;&#222;"f           > D0 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016622E04900, 16 bytes long.
 Data: <&#168;&#179;&#222;"f           > A8 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016622E05580, 16 bytes long.
 Data: < &#179;&#222;"f           > 80 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016622E050D0, 16 bytes long.
 Data: <X&#179;&#222;"f           > 58 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016622DFEF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000016622E04E50, 16 bytes long.
 Data: <0&#179;&#222;"f           > 30 B3 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016622DEB330, 320 bytes long.
 Data: <PN&#224;"f    &#239;&#223;"f   > 50 4E E0 22 66 01 00 00 10 EF DF 22 66 01 00 00 
{274} normal block at 0x0000016622E056C0, 16 bytes long.
 Data: <`\&#224;"f           > 60 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016622E05300, 16 bytes long.
 Data: <8\&#224;"f           > 38 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016622DFF690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000016622E05530, 16 bytes long.
 Data: < \&#224;"f           > 10 5C E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016622DFF5D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000016622E04C70, 16 bytes long.
 Data: <X[&#224;"f           > 58 5B E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016622E05670, 16 bytes long.
 Data: <0[&#224;"f           > 30 5B E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016622E04C20, 16 bytes long.
 Data: < [&#224;"f           > 08 5B E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016622E04D10, 16 bytes long.
 Data: <&#224;Z&#224;"f           > E0 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016622E05620, 16 bytes long.
 Data: <&#184;Z&#224;"f           > B8 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016622E05080, 16 bytes long.
 Data: < Z&#224;"f           > 90 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016622E05030, 16 bytes long.
 Data: < E&#224;"f           > 00 45 E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016622E04500, 40 bytes long.
 Data: <0P&#224;"f    Z&#155;$f   > 30 50 E0 22 66 01 00 00 20 5A 9B 24 66 01 00 00 
{260} normal block at 0x0000016622E051C0, 16 bytes long.
 Data: <pZ&#224;"f           > 70 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016622E04CC0, 16 bytes long.
 Data: <HZ&#224;"f           > 48 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016622DFEEB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000016622E05170, 16 bytes long.
 Data: < Z&#224;"f           > 20 5A E0 22 66 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016622E05A20, 992 bytes long.
 Data: <pQ&#224;"f   &#176;&#238;&#223;"f   > 70 51 E0 22 66 01 00 00 B0 EE DF 22 66 01 00 00 
{92} normal block at 0x0000016622DFF7B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000016622DFE3A0, 16 bytes long.
 Data: < &#198;&#222;"f           > 00 C6 DE 22 66 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000016622DEC600, 40 bytes long.
 Data: <&#160;&#227;&#223;"f   &#176;&#247;&#223;"f   > A0 E3 DF 22 66 01 00 00 B0 F7 DF 22 66 01 00 00 
{69} normal block at 0x0000016622DFE030, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016622DFE670, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016622DFE120, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016622DFDDB0, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016622DFEA80, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016622DFEC10, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016622DFE940, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016622DFEBC0, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016622DFE8A0, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016622DFE710, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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